Detailed information for compound 1326676

Basic information

Technical information
  • TDR Targets ID: 1326676
  • Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-di methylacetamide
  • MW: 225.311 | Formula: C10H15N3OS
  • H donors: 0 H acceptors: 3 LogP: 1.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C)C)CSc1nc(C)cc(n1)C
  • InChi: 1S/C10H15N3OS/c1-7-5-8(2)12-10(11-7)15-6-9(14)13(3)4/h5H,6H2,1-4H3
  • InChiKey: VICNHVUBTBTSHG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethyl-acetamide
  • 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylacetamide
  • 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N,N-dimethyl-acetamide
  • 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethyl-ethanamide
  • ZINC00617936
  • MLS000719215
  • SMR000291483
  • 2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N,N-dimethyl-acetamide
  • BAS 06984805
  • STK205641

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Echinococcus granulosus lamin dm0 0.0026 0.4886 0.4811
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.4113 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.4113 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.2951 0.8815
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.3348 0.3348
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.4113 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.3348 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.2951 0.2951
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0007 0.0143 0.0348
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0143 0.0143
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0143 0.0428
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.2692 0.9123
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0143 0.0485
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.4113 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.3348 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.4113 0.4113
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0143 0.0143
Schistosoma mansoni ap endonuclease 0.0018 0.2951 0.2951
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.3348 0.8073
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0007 0.0143 0.0348
Giardia lamblia DINP protein human, muc B family 0.002 0.3348 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.2951 0.5
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0007 0.0143 0.0348
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.2692 0.9123
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.3348 0.814
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.2951 0.8815
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0007 0.0143 0.0348
Loa Loa (eye worm) hypothetical protein 0.0013 0.1578 0.1578
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.2951 0.8762
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0143 0.0485
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.3348 0.3348
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0143 0.0348
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.3348 0.3251
Leishmania major DNA polymerase eta, putative 0.002 0.3348 0.814
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.4113 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.2463 0.5844
Loa Loa (eye worm) hypothetical protein 0.0012 0.1461 0.1461
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.4113 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.2951 0.2849
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 1 1
Schistosoma mansoni DNA polymerase eta 0.002 0.3348 0.3348
Loa Loa (eye worm) hypothetical protein 0.0007 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0023 0.4113 0.4113
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.0143 0.0428
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.3348 0.3348
Echinococcus multilocularis lamin 0.0026 0.4886 0.4811
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 1 1
Onchocerca volvulus 0.0026 0.4886 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0143 0.0428
Leishmania major DNA polymerase kappa, putative 0.002 0.3348 0.814
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0007 0.0143 0.0348
Onchocerca volvulus 0.0023 0.4113 0.8371
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.3348 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0143 0.0348
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.1578 0.1456
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0143 0.0348
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.2951 0.7175
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.4886 0.4886
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0143 0.0143
Trypanosoma brucei unspecified product 0.002 0.3348 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.4113 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2692 0.2692
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0143 0.0428
Schistosoma mansoni lamin 0.0026 0.4886 0.4886
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.4113 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.3348 0.3348
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.4113 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.3348 0.814
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Echinococcus granulosus lamin 0.0026 0.4886 0.4811
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0007 0.0143 0.0348
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.2951 0.8815
Schistosoma mansoni intermediate filament proteins 0.0026 0.4886 0.4886
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.3348 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2692 0.2692
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0143 0.0485
Loa Loa (eye worm) hypothetical protein 0.0026 0.4886 0.4886
Trypanosoma brucei unspecified product 0.0014 0.1841 0.55
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.2951 0.2849
Brugia malayi AMP-binding enzyme family protein 0.0023 0.4113 0.4113
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0143 0.0348
Echinococcus granulosus dna polymerase kappa 0.002 0.3348 0.3251
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.3348 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.4113 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0143 0.0143
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.2951 0.7175
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0143 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.1841 0.55
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.1918 0.1918
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.1841 0.55
Mycobacterium ulcerans DNA polymerase IV 0.002 0.3348 0.814
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.3348 0.3348
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.3348 0.3251
Toxoplasma gondii exonuclease III APE 0.0018 0.2951 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0143 0.0348
Schistosoma mansoni ap endonuclease 0.0018 0.2951 0.2951
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0143 0.0485
Brugia malayi AMP-binding enzyme family protein 0.0023 0.4113 0.4113
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.1841 0.55
Mycobacterium ulcerans acetyl-CoA synthetase 0.0007 0.0143 0.0348
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0143 0.0143
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.4113 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2692 0.2692
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.2951 0.5
Schistosoma mansoni lamin 0.0026 0.4886 0.4886
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2692 0.2692
Loa Loa (eye worm) hypothetical protein 0.0017 0.2692 0.2692
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.4113 1
Onchocerca volvulus 0.0026 0.4886 1
Trypanosoma brucei unspecified product 0.0014 0.1841 0.55
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.2692 0.6546
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.2951 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.4113 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.2951 0.2951
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.1578 0.1456
Loa Loa (eye worm) hypothetical protein 0.0007 0.0143 0.0143
Echinococcus multilocularis musashi 0.0026 0.4886 0.4811
Loa Loa (eye worm) hypothetical protein 0.002 0.3348 0.3348
Echinococcus multilocularis dna polymerase kappa 0.002 0.3348 0.3251
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.3348 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.3348 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1461 0.1461
Echinococcus multilocularis lamin dm0 0.0026 0.4886 0.4811
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0143 0.0348
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.4886 0.4886
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.4113 1
Echinococcus granulosus intermediate filament protein 0.0026 0.4886 0.4811
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0143 0.0143
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.2951 0.7073
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0007 0.0143 0.0485
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0143 0.0143
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.4113 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.2951 0.7073
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.2951 0.8762
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0143 0.0428
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.3348 0.8073
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.3348 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.3348 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.2463 0.5844
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.3348 0.8073
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.2463 0.5844
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.2692 0.6421
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0007 0.0143 0.0348
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.2463 0.5844
Brugia malayi AMP-binding enzyme family protein 0.0023 0.4113 0.4113
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.2951 0.8815
Loa Loa (eye worm) hypothetical protein 0.0023 0.4113 0.4113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.4769 0.4769
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0143 0.0348
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.4113 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.2692 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.4113 1
Brugia malayi intermediate filament protein 0.0026 0.4886 0.4886
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.3348 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.3348 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.2951 1
Echinococcus multilocularis dna polymerase eta 0.002 0.3348 0.3251
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.3348 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.1918 0.1918
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0143 0.0348
Echinococcus granulosus dna polymerase eta 0.002 0.3348 0.3251
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0143 0.0348
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0143 0.0348
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0143 0.0428
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.4113 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.4886 0.4886
Loa Loa (eye worm) oxidoreductase 0.0007 0.0143 0.0143
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0143 0.0348
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0007 0.0143 0.0348
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0143 0.0143

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.